5-bromo-2-nitropyridine-4-carbonitrile

C6H2BrN3O2 — CID 130822879

IUPAC5-bromo-2-nitropyridine-4-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])ncc1Br
InChIInChI=1S/C6H2BrN3O2/c7-5-3-9-6(10(11)12)1-4(5)2-8/h1,3H
InChIKeyPBWOKZKVESDSSM-UHFFFAOYSA-N
MW228.00 g/mol
LogP1.62
Rot. Bonds1

About 5-bromo-2-nitropyridine-4-carbonitrile

5-bromo-2-nitropyridine-4-carbonitrile (PubChem CID 130822879) has the molecular formula C6H2BrN3O2 and a molecular weight of 228.00 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-nitropyridine-4-carbonitrile
PubChem CID130822879
Molecular FormulaC6H2BrN3O2
Molecular Weight228.00 g/mol
Exact Mass226.93
IUPAC Name5-bromo-2-nitropyridine-4-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])ncc1Br
InChIInChI=1S/C6H2BrN3O2/c7-5-3-9-6(10(11)12)1-4(5)2-8/h1,3H
InChIKeyPBWOKZKVESDSSM-UHFFFAOYSA-N
XLogP1.62
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.00
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-nitropyridine-4-carbonitrile
CID 130882293
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
5-bromo-4-chloro-2-nitropyridine
CID 118994717
6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097382
2-amino-5-bromopyridine-4-carbonitrile
CID 53440577
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
4-bromo-5-(fluoromethyl)-2-nitropyridine
CID 118811714
4-bromo-5-(chloromethyl)-2-nitropyridine
CID 118827535
4,5-dibromo-2-nitrobenzonitrile
CID 165358777
2-bromo-6-nitropyridine-3-carbonitrile
CID 118990740
5-chloro-2-(6-nitro-3-pyridinyl)benzonitrile
CID 139893416
5-bromo-3-nitroisoquinoline
CID 18183529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitropyridine-4-carbonitrile?
The IUPAC name of 5-bromo-2-nitropyridine-4-carbonitrile (CID 130822879) is 5-bromo-2-nitropyridine-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-nitropyridine-4-carbonitrile?
The canonical SMILES for 5-bromo-2-nitropyridine-4-carbonitrile is N#Cc1cc([N+](=O)[O-])ncc1Br.
What is the InChIKey of 5-bromo-2-nitropyridine-4-carbonitrile?
The InChIKey is PBWOKZKVESDSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrN3O2/c7-5-3-9-6(10(11)12)1-4(5)2-8/h1,3H.
What are the key properties of 5-bromo-2-nitropyridine-4-carbonitrile?
5-bromo-2-nitropyridine-4-carbonitrile has a molecular weight of 228.00 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitropyridine-4-carbonitrile is sourced from PubChem (CID 130822879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).